SCHEMBL7901869

SCHEMBL7901869

c1ccc(Nc2csc(-c3cccs3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.44
HSD17B10 Q99714 2/20 0.43
ALK Q9UM73 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
AR P10275 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2B P41595 1/20 0.41
NPC1 O15118 4/20 0.40
ADORA2A P29274 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17618198 0.76 ALK (0.52) PDE5AHSD17B10ALKMAPTALDH1A1
Benzene SCHEMBL28420098 0.71 L3MBTL1 (0.55) HSD17B10MAPTALDH1A1MEN1KMT2A
Benzene SCHEMBL29089513 0.71 L3MBTL1 (0.55) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL19677241 0.69 HSD17B10 (0.50) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL27451260 0.69 KDM4E (0.42) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL22733865 0.69 KCNH2 (0.48) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL28032949 0.69 LTA4H (0.55) PDE5AHSD17B10ALKMAPTALDH1A1
SCHEMBL27690380 0.68 KDM4E (0.46) HSD17B10MAPTALDH1A1MEN1KMT2A
Benzene SCHEMBL28031566 0.68 KDM4E (0.52) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL3545 0.68 L3MBTL1 (0.57) HSD17B10MAPTALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197921-B1 ELECTROCHEMICALLY POLYMERIZED POLYANILINES AND POLYTHIOPHENES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2001-03-06 US claimed
US-6130339-A Electro-active monomers comprised of aniline-thiophene units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-10-10 US claimed
US-6197921-B1 ELECTROCHEMICALLY POLYMERIZED POLYANILINES AND POLYTHIOPHENES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2001-03-06 US disclosed
US-6130339-A Electro-active monomers comprised of aniline-thiophene units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-10-10 US disclosed